2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-[2-(methylthio)phenyl]benzamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(methylthio)phenyl]benzamide Formula: C20H25ClN3O3S2+ MolecularWeight: 455.0138

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C20H24ClN3O3S2/c1-3-23-10-12-24(13-11-23)29(26,27)15-8-9-17(21)16(14-15)20(25)22-18-6-4-5-7-19(18)28-2/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)/p+1